⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL26170457 | 1.00 | — | — | |
| SCHEMBL14038128 | 1.00 | — | — | |
| SCHEMBL24918705 | 1.00 | — | — | |
| SCHEMBL18477122 | 0.85 | — | — | |
| SCHEMBL22048907 | 0.82 | NCF1 (0.42) | — | |
| SCHEMBL22050155 | 0.82 | NCF1 (0.42) | — | |
| SCHEMBL23710899 | 0.82 | OPRK1 (0.34) | — | |
| SCHEMBL21214317 | 0.79 | — | — | |
| SCHEMBL25102147 | 0.78 | — | — | |
| SCHEMBL25102146 | 0.78 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11186564-B2 | Dual NAV1.2/5HT2a inhibitors for treating CNS disorders | SUNOVION PHARMACEUTICALS INC. (US) | 2021-11-30 | — | — | US | disclosed |
| US-20190194163-A1 | DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2019-06-27 | — | — | US | disclosed |